methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate

C11H15N3O3S — CID 63050127

IUPACmethyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3O3S/c1-17-10(15)6-13-2-4-14(5-3-13)11(16)9-7-18-8-12-9/h7-8H,2-6H2,1H3
InChIKeyMVUUNJPCEBJXEN-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.07
Rot. Bonds3

About methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate

methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate (PubChem CID 63050127) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate
PubChem CID63050127
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namemethyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3O3S/c1-17-10(15)6-13-2-4-14(5-3-13)11(16)9-7-18-8-12-9/h7-8H,2-6H2,1H3
InChIKeyMVUUNJPCEBJXEN-UHFFFAOYSA-N
XLogP0.07
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 63049420
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63309923
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
2-ethyl-1-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110646105
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
2-(4-methoxyphenyl)-1-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137344006
(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 110646109
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate (CID 63050127) is methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate?
The InChIKey is MVUUNJPCEBJXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-17-10(15)6-13-2-4-14(5-3-13)11(16)9-7-18-8-12-9/h7-8H,2-6H2,1H3.
What are the key properties of methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate?
methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate has a molecular weight of 269.33 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 63050127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).